2-chloro-6-(4-methylanilino)phenol

C13H12ClNO — CID 171920198

IUPAC2-chloro-6-(4-methylanilino)phenol
SMILESCc1ccc(Nc2cccc(Cl)c2O)cc1
InChIInChI=1S/C13H12ClNO/c1-9-5-7-10(8-6-9)15-12-4-2-3-11(14)13(12)16/h2-8,15-16H,1H3
InChIKeyCAHVMOOUZIWZPS-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.10
Rot. Bonds2

About 2-chloro-6-(4-methylanilino)phenol

2-chloro-6-(4-methylanilino)phenol (PubChem CID 171920198) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-6-(4-methylanilino)phenol.

Molecular Properties

Compound Name2-chloro-6-(4-methylanilino)phenol
PubChem CID171920198
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-6-(4-methylanilino)phenol
SMILESCc1ccc(Nc2cccc(Cl)c2O)cc1
InChIInChI=1S/C13H12ClNO/c1-9-5-7-10(8-6-9)15-12-4-2-3-11(14)13(12)16/h2-8,15-16H,1H3
InChIKeyCAHVMOOUZIWZPS-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,5-dimethylanilino)phenol
CID 171920442
5-(3-chloro-2-hydroxyanilino)benzene-1,3-diol
CID 171920210
3-chloro-N-(4-methylphenyl)-2-[(4-methylphenyl)iminomethyl]aniline
CID 122382260
2-[2-hydroxy-3-(4-methylanilino)benzoyl]benzoic acid
CID 54528500
4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027234
3-(4-propan-2-ylanilino)benzene-1,2-diol
CID 171920166
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylanilino)phenol?
The IUPAC name of 2-chloro-6-(4-methylanilino)phenol (CID 171920198) is 2-chloro-6-(4-methylanilino)phenol.
What is the SMILES notation for 2-chloro-6-(4-methylanilino)phenol?
The canonical SMILES for 2-chloro-6-(4-methylanilino)phenol is Cc1ccc(Nc2cccc(Cl)c2O)cc1.
What is the InChIKey of 2-chloro-6-(4-methylanilino)phenol?
The InChIKey is CAHVMOOUZIWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-5-7-10(8-6-9)15-12-4-2-3-11(14)13(12)16/h2-8,15-16H,1H3.
What are the key properties of 2-chloro-6-(4-methylanilino)phenol?
2-chloro-6-(4-methylanilino)phenol has a molecular weight of 233.70 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylanilino)phenol is sourced from PubChem (CID 171920198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).